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163-30-4 | 1H-5,10b-Propanobenz[h]isoquinoline (8CI,9CI)
CAS No: 163-30-4 Catalog No: AG001TLJ MDL No:
Product Description
Catalog Number:
AG001TLJ
Chemical Name:
1H-5,10b-Propanobenz[h]isoquinoline (8CI,9CI)
CAS Number:
163-30-4
Molecular Formula:
C16H15N
Molecular Weight:
221.2970
IUPAC Name:
13-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,8,10,12-hexaene
InChI:
InChI=1S/C16H15N/c1-2-6-14-12(4-1)10-13-5-3-8-16(14)11-17-9-7-15(13)16/h1-2,4,6-7,9-10H,3,5,8,11H2
InChI Key:
MANVDRANCNGPGW-UHFFFAOYSA-N
SMILES:
C1=NCC23C(=C1)C(=Cc1c3cccc1)CCC2
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.303g/mol
Monoisotopic Mass:
221.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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